1-[6-(2,3-dihydroindol-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-(2,3-dihydroindol-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-(6-indolin-1-yl-5-nitro-pyrimidin-4-yl)piperidine-4-carboxylic acid CAS Name: 1-[6-(2,3-dihydroindol-1-yl)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-(6-indolin-1-yl-5-nitro-pyrimidin-4-yl)isonipecotic acid Formula: C18H19N5O4 MolecularWeight: 369.37456

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C43

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C43

InChI

InChI=1S/C18H19N5O4/c24-18(25)13-5-8-21(9-6-13)16-15(23(26)27)17(20-11-19-16)22-10-7-12-3-1-2-4-14(12)22/h1-4,11,13H,5-10H2,(H,24,25)